Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
0.6908 5.2097 -0.9994 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2684 4.5241 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0692 3.5859 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3070 2.2411 0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0113 1.2949 1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5476 1.6451 2.4140 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3553 -0.1323 1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3138 -0.6671 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7817 -0.5834 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4854 -1.4780 0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4752 0.4851 -0.6098 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8577 0.6507 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5951 -0.4144 -1.3153 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3531 -0.1381 -2.3473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8584 -0.2146 0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2926 -1.6187 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3448 -2.3989 1.7152 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 -2.0721 -0.5031 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0601 -3.4092 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2922 -3.7116 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4249 -4.0699 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0551 -0.8560 2.2507 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7365 5.1353 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4453 5.8969 -1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2891 4.6501 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1342 3.6061 0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5655 3.8784 1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0296 -1.7465 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0862 -0.1564 -0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2744 0.7747 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0561 1.6566 -1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5143 -1.4280 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4283 0.8896 -2.6786 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9224 -0.8646 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0969 0.4295 0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 0.2173 1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2200 -3.5665 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2408 -4.1160 -0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2386 -3.6301 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5161 -4.1612 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2975 -4.2812 0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0204 -1.0564 2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers